A Comprehensive Analysis of the Structural, Electronic, Mechanical, Optical, and Thermophysical Properties of GaSrX3 (X = F, Cl, Br, I, and H): DFT …

Selective CO2 hydrogenation to formic acid on Cu55 and Cu13@ Ni42 nanoclusters: a DFT and artificial bee colony optimization study

Integrated Computational and Biological Evaluation of Bistriazole-Imidazolium Salts as Selective Anticancer Agents

Light transition-metal anchoring enables ultrahigh-capacity hydrogen storage in boron-graphdiyne monolayer

Atomic-scale engineering of MoSe2 via germanium doping for advanced detection of toxic alkaloids and alcohols

Synergistic light-metal activation in Aza-triphenylene covalent organic frameworks for reversible hydrogen uptake